SCHEMBL186195

SCHEMBL186195

O=C(NC1(C(=O)NCc2ccc(Nc3c(F)cccc3Br)cn2)CC1)Oc1cncnc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.36
BDKRB1 P46663 4/20 0.34
TRPV1 Q8NER1 8/20 0.34
FPR2 P25090 1/20 0.33
EGFR P00533 1/20 0.32
CNR1 P21554 1/20 0.30
POLB P06746 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14856784 0.90 FAAH (0.36) FAAHBDKRB1TRPV1
SCHEMBL2811317 0.89 BDKRB1 (0.43) BDKRB1FPR2EGFRCNR1
SCHEMBL185951 0.85 TRPV1 (0.33) FAAHBDKRB1TRPV1FPR2
SCHEMBL14856806 0.80 TRPV1 (0.36) FAAHBDKRB1TRPV1FPR2POLB
SCHEMBL13128619 0.79 BDKRB1 (0.43) BDKRB1CNR1
SCHEMBL186372 0.79 RAB9A (0.40) FAAHBDKRB1TRPV1FPR2
SCHEMBL196872 0.78 BDKRB1 (0.40) FAAHBDKRB1TRPV1
SCHEMBL2805107 0.78 BDKRB1 (0.42) BDKRB1CNR1
SCHEMBL185605 0.78 FAAH (0.46) FAAHBDKRB1TRPV1POLB
SCHEMBL14856605 0.77 FAAH (0.35) FAAHBDKRB1TRPV1CNR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed